N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide

C27H35N9O2 — CID 163563903

About N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide

N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 163563903) has the molecular formula C27H35N9O2 and a molecular weight of 517.64 g/mol. Its IUPAC name is N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
• PubChem CID: 163563903
• Molecular Formula: C27H35N9O2
• Molecular Weight: 517.64 g/mol
• Exact Mass: 517.29
• IUPAC Name: N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
• SMILES: COc1nn(C)cc1Nc1ncc(C)c(C2=CCc3c2ccnc3NC(=O)C(C)(C)N2CCN(C)CC2)n1
• InChI: InChI=1S/C27H35N9O2/c1-17-15-29-26(30-21-16-35(5)33-24(21)38-6)31-22(17)19-7-8-20-18(19)9-10-28-23(20)32-25(37)27(2,3)36-13-11-34(4)12-14-36/h7,9-10,15-16H,8,11-14H2,1-6H3,(H,28,32,37)(H,29,30,31)
• InChIKey: IUVLUEBGGWPZNH-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 113.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.64
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide?

The IUPAC name of N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide (CID 163563903) is N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide.

What is the SMILES notation for N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide?

The canonical SMILES for N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide is COc1nn(C)cc1Nc1ncc(C)c(C2=CCc3c2ccnc3NC(=O)C(C)(C)N2CCN(C)CC2)n1.

What is the InChIKey of N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide?

The InChIKey is IUVLUEBGGWPZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N9O2/c1-17-15-29-26(30-21-16-35(5)33-24(21)38-6)31-22(17)19-7-8-20-18(19)9-10-28-23(20)32-25(37)27(2,3)36-13-11-34(4)12-14-36/h7,9-10,15-16H,8,11-14H2,1-6H3,(H,28,32,37)(H,29,30,31).

What are the key properties of N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide?

N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 517.64 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-7H-cyclopenta[c]pyridin-1-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 163563903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).